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Compound Detail

CHEMBL268868

DAPH
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O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL268868
Name DAPH
Phase Preclinical
Structure Type MOL
InChI Key AAALVYBICLMAMA-UHFFFAOYSA-N
6
Targets
13
Activities
2
Assay Types
0
PK Parameters
16
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
4.06
ALogP
4
HBA
3
HBD
70.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15N3O2
MW 329.36
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.40

Activity Summary

IC50 12 meas. best 6.52
Ki 1 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
 Ki 6.8 6.8 160.0 1
Epidermal growth factor receptor
CHEMBL203
 IC50 6.52 6.52 300.0 2
Plasmodium falciparum
CHEMBL364
 IC50 5.1 4.9833 7943.3 6
Balb/MK
CHEMBL614065
 IC50 4.94 4.94 11500.0 1
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
 IC50 4.8 4.8 16000.0 1
Protein kinase C (PKC)
CHEMBL2093867
 IC50 4.1 4.1 80000.0 1
Platelet-derived growth factor receptor
CHEMBL2096980
 IC50 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Epidermal growth factor receptor Ki = 160.0 nM 6.8 Competitive inhibition of ATP binding to EGF-R 8151612
Epidermal growth factor receptor IC50 = 300.0 nM 6.52 Inhibitory activity against recombinant tyrosine kinase EGF-R (EGF-R ICD) 8151612
Epidermal growth factor receptor IC50 = 300.0 nM 6.52 In vitro inhibitory activity against epidermal growth factor receptor 8691423
Plasmodium falciparum IC50 = 7943.28 nM 5.1 Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... 19734910
Balb/MK IC50 = 11500.0 nM 4.94 Inhibition of BALB/MK mouse epidermal keratinocyte proliferation 8151612
Plasmodium falciparum IC50 = 12589.25 nM 4.9 Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 12589.25 nM 4.9 Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR g... 19734910
Proto-oncogene tyrosine-protein kinase Src IC50 = 16000.0 nM 4.8 Inhibitory activity against c-src tyrosine kinase 8151612
Protein kinase C (PKC) IC50 = 80000.0 nM 4.1 Inhibitory activity was determined against protein kinase C (PKC) from porcine b... 8151612
Platelet-derived growth factor receptor IC50 = 100000.0 nM 4.0 Inhibition of PDGF-dependent autophosphorylation of PDGF-R in mouse BALB/c3T3 ce... 8151612

Literature References

PubMed DOI Target Context # Activities
19734910 10.1038/nchembio.215 Plasmodium falciparum 6
8151612 10.1021/jm00033a019 Epidermal growth factor receptor 3
18223646 10.1038/nchembio.65 Eukaryotic peptide chain release factor GTP-binding subunit 3
18223646 10.1038/nchembio.65 Unchecked 3
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
8151612 10.1021/jm00033a019 Tyrosine-protein kinase ABL 1
8151612 10.1021/jm00033a019 Proto-oncogene tyrosine-protein kinase Src 1
8151612 10.1021/jm00033a019 Protein kinase C (PKC) 1
8151612 10.1021/jm00033a019 cAMP-dependent protein kinase alpha-catalytic subunit 1
8151612 10.1021/jm00033a019 Platelet-derived growth factor receptor 1
8151612 10.1021/jm00033a019 Balb/MK 1
8691423 10.1021/jm960118j Epidermal growth factor receptor 1
20036557 10.1016/j.bmc.2009.12.023 Amyloid-beta precursor protein 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine